Geometry & MOs

Info

ID:	67459
PubChem CID:	46506515
Reduced:	OSN4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	544.178041
ΔH_f, kcal/mol:	42.03
Dipole, Da:	2.89
IP(EA), eV:	-9.22(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3NC2=S

DOS

IR

Vibrations